Glycoside
GD127980
Name:
6-O-(3,4,5-Trimethoxybenzoyl)-AjugolFormula:
C25H34O13Smiles:
COc1cc(C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)cc(OC)c1OCAglycone:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 542.53 | Num_heavy_atoms: | 38 |
| TPSA: | 182.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD51845
Formula: C19H24O8
Smiles:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)cc(OC)c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 380.39 | Num_heavy_atoms: | 27 |
| TPSA: | 103.68 | NumAromaticRings: | 1 |
